N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline

C156H108N12OS5 — CID 146650544

IUPACN-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESC1=CC2N=C(c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8c(C9=CC=CC%10N=C(c%11ccc(N(c%12ccccc%12)c%12ccc(-c%13ccc(-c%14ccc(N(c%15ccccc%15)c%15ccc(-c%16nc%17c(C%18=CC=CC%19OC(c%20ccc(N(c%21ccccc%21)c%21ccc(-c%22ccc(N(c%23ccccc%23)c%23ccc(-c%24nc%25ccccc%25s%24)cc%23)cc%22)cc%21)cc%20)=NC%18%19)cccc%17s%16)cc%15)cc%14)cc%13)cc%12)cc%11)SC9%10)cccc8s7)cc6)cc5)cc4)cc3)SC2C=C1
InChIInChI=1S/C156H108N12OS5/c1-7-27-117(28-8-1)163(123-83-59-107(60-84-123)108-61-85-126(86-62-108)164(118-29-9-2-10-30-118)130-93-69-112(70-94-130)152-157-139-43-19-21-47-143(139)170-152)129-91-67-111(68-92-129)151-160-147-135(39-24-46-142(147)169-151)136-40-25-49-145-148(136)161-155(172-145)115-75-99-133(100-76-115)167(121-35-15-5-16-36-121)125-81-57-106(58-82-125)104-53-51-103(52-54-104)105-55-79-124(80-56-105)166(120-33-13-4-14-34-120)132-97-73-114(74-98-132)154-159-141-45-23-42-138(150(141)174-154)137-41-26-50-146-149(137)162-156(173-146)116-77-101-134(102-78-116)168(122-37-17-6-18-38-122)128-89-65-110(66-90-128)109-63-87-127(88-64-109)165(119-31-11-3-12-32-119)131-95-71-113(72-96-131)153-158-140-44-20-22-48-144(140)171-153/h1-102,140-142,144,147,150H
InChIKeyUKLLSIDZYUGVTJ-UHFFFAOYSA-N
MW2327.00 g/mol
LogP42.41
Rot. Bonds30

About N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline

N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 146650544) has the molecular formula C156H108N12OS5 and a molecular weight of 2327.00 g/mol. Its IUPAC name is N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID146650544
Molecular FormulaC156H108N12OS5
Molecular Weight2327.00 g/mol
Exact Mass2324.74
IUPAC NameN-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESC1=CC2N=C(c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8c(C9=CC=CC%10N=C(c%11ccc(N(c%12ccccc%12)c%12ccc(-c%13ccc(-c%14ccc(N(c%15ccccc%15)c%15ccc(-c%16nc%17c(C%18=CC=CC%19OC(c%20ccc(N(c%21ccccc%21)c%21ccc(-c%22ccc(N(c%23ccccc%23)c%23ccc(-c%24nc%25ccccc%25s%24)cc%23)cc%22)cc%21)cc%20)=NC%18%19)cccc%17s%16)cc%15)cc%14)cc%13)cc%12)cc%11)SC9%10)cccc8s7)cc6)cc5)cc4)cc3)SC2C=C1
InChIInChI=1S/C156H108N12OS5/c1-7-27-117(28-8-1)163(123-83-59-107(60-84-123)108-61-85-126(86-62-108)164(118-29-9-2-10-30-118)130-93-69-112(70-94-130)152-157-139-43-19-21-47-143(139)170-152)129-91-67-111(68-92-129)151-160-147-135(39-24-46-142(147)169-151)136-40-25-49-145-148(136)161-155(172-145)115-75-99-133(100-76-115)167(121-35-15-5-16-36-121)125-81-57-106(58-82-125)104-53-51-103(52-54-104)105-55-79-124(80-56-105)166(120-33-13-4-14-34-120)132-97-73-114(74-98-132)154-159-141-45-23-42-138(150(141)174-154)137-41-26-50-146-149(137)162-156(173-146)116-77-101-134(102-78-116)168(122-37-17-6-18-38-122)128-89-65-110(66-90-128)109-63-87-127(88-64-109)165(119-31-11-3-12-32-119)131-95-71-113(72-96-131)153-158-140-44-20-22-48-144(140)171-153/h1-102,140-142,144,147,150H
InChIKeyUKLLSIDZYUGVTJ-UHFFFAOYSA-N
XLogP42.41
TPSA104.42 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002327.00
LogP ≤ 542.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline with MolForge

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Related Compounds

2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole
CID 138599429
2-[4-[2-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]-6-[4-(1,8a-dihydronaphthalen-1-yl)phenyl]pyrimidin-4-yl]phenyl]-1,3-benzothiazole
CID 170047520
N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59707544
4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
CID 59707533
N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-4-dibenzofuran-1-ylaniline
CID 167263888
2-[4-[2-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]-6-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]-1,3-benzothiazole
CID 170047519
4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
CID 176651579
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 174247496
N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylanthracen-2-amine
CID 165150257
N-[4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158722839
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]-1,3-benzothiazol-6-amine
CID 159040137
iridium;bis(2-phenyl-3a,7a-dihydro-1,3-benzothiazole)
CID 58725428

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline (CID 146650544) is N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline is C1=CC2N=C(c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8c(C9=CC=CC%10N=C(c%11ccc(N(c%12ccccc%12)c%12ccc(-c%13ccc(-c%14ccc(N(c%15ccccc%15)c%15ccc(-c%16nc%17c(C%18=CC=CC%19OC(c%20ccc(N(c%21ccccc%21)c%21ccc(-c%22ccc(N(c%23ccccc%23)c%23ccc(-c%24nc%25ccccc%25s%24)cc%23)cc%22)cc%21)cc%20)=NC%18%19)cccc%17s%16)cc%15)cc%14)cc%13)cc%12)cc%11)SC9%10)cccc8s7)cc6)cc5)cc4)cc3)SC2C=C1.
What is the InChIKey of N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is UKLLSIDZYUGVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C156H108N12OS5/c1-7-27-117(28-8-1)163(123-83-59-107(60-84-123)108-61-85-126(86-62-108)164(118-29-9-2-10-30-118)130-93-69-112(70-94-130)152-157-139-43-19-21-47-143(139)170-152)129-91-67-111(68-92-129)151-160-147-135(39-24-46-142(147)169-151)136-40-25-49-145-148(136)161-155(172-145)115-75-99-133(100-76-115)167(121-35-15-5-16-36-121)125-81-57-106(58-82-125)104-53-51-103(52-54-104)105-55-79-124(80-56-105)166(120-33-13-4-14-34-120)132-97-73-114(74-98-132)154-159-141-45-23-42-138(150(141)174-154)137-41-26-50-146-149(137)162-156(173-146)116-77-101-134(102-78-116)168(122-37-17-6-18-38-122)128-89-65-110(66-90-128)109-63-87-127(88-64-109)165(119-31-11-3-12-32-119)131-95-71-113(72-96-131)153-158-140-44-20-22-48-144(140)171-153/h1-102,140-142,144,147,150H.
What are the key properties of N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 2327.00 g/mol, XLogP of 42.41, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 146650544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).